3,3'-di(4-diethyl acetal benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'dione | 947391-78-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,3'-di(4-diethyl acetal benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'dione
• 英文别名: (2E,3R)-3-[4-(diethoxymethyl)phenyl]-2-[(1S)-1-[4-(diethoxymethyl)phenyl]-1-hydroxy-3-oxoinden-2-ylidene]-3-hydroxyinden-1-one
• CAS: 947391-78-8
• 化学式: C₄₀H₄₀O₈
• 分子量: 648.753
• InChiKey: SSDBRGHDYUPIEL-PYQZGYGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,3'-di(4-diethyl acetal benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'dione 在 对甲苯磺酸 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以90%的产率得到3,3'-di(benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'-dione
  参考文献：
  名称：

  New photo-responsive unit of biindenylidene with TEMPO radical substituents

  摘要：

  Incorporation of organic radical TEMPO into photochromic biindenylidene system leads to the synthesis of a novel dual functional compound 4. Its photochromism, structure, magnetic properties as well as ESR spectroscopy were deliberately investigated. Remarkable changes of the ESR spectra were observed for 4 upon photoirradiation with different light sources. The intermolecular interactions were interpreted with regard to its crystal structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.067
• 作为产物：
  描述：

  [2,2′-bi-1H-indene]-3,3′-dihydroxy-1,1′-dione 、 4-溴苯甲醛二乙基缩醛 在 碘 、 magnesium 、 氧气 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 20.0h， 以46%的产率得到3,3'-di(4-diethyl acetal benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'dione
  参考文献：
  名称：

  New photo-responsive unit of biindenylidene with TEMPO radical substituents

  摘要：

  Incorporation of organic radical TEMPO into photochromic biindenylidene system leads to the synthesis of a novel dual functional compound 4. Its photochromism, structure, magnetic properties as well as ESR spectroscopy were deliberately investigated. Remarkable changes of the ESR spectra were observed for 4 upon photoirradiation with different light sources. The intermolecular interactions were interpreted with regard to its crystal structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.067